Thermo-electrical properties of nanostructured ballistic nanowires in the R-matrix formalism using the Implicitly Restarted Arnoldi Method

Thermo-electrical properties of ballistic cylindrical nanowires are investigated with respect to their internal nanostructuring. The large scale three-dimensional scattering problem associated with the open quantum system is solved efficiently in the R-matrix formalism, which is here coupled with the Implicitly Restarted Arnoldi Method. In this approach, the first few propagating modes are accurately described, while the numerical performance is greatly enhanced. The thermopower indicates different qualitative behaviors when inducing opposite deformations on the potential energy surface of the unperturbed nanowire. The results are discussed in the context of nanowire arrays, which are potential candidates in a wide range of electronic and optoelectronic devices.